4-chloro-3-methyl-1-(2-methylsulfonylcyclopentyl)pyrazol-5-amine

C10H16ClN3O2S — CID 65046283

IUPAC4-chloro-3-methyl-1-(2-methylsulfonylcyclopentyl)pyrazol-5-amine
SMILESCc1nn(C2CCCC2S(C)(=O)=O)c(N)c1Cl
InChIInChI=1S/C10H16ClN3O2S/c1-6-9(11)10(12)14(13-6)7-4-3-5-8(7)17(2,15)16/h7-8H,3-5,12H2,1-2H3
InChIKeyJZJCCUYLJDDKSN-UHFFFAOYSA-N
MW277.78 g/mol
LogP1.57
Rot. Bonds2

About 4-chloro-3-methyl-1-(2-methylsulfonylcyclopentyl)pyrazol-5-amine

4-chloro-3-methyl-1-(2-methylsulfonylcyclopentyl)pyrazol-5-amine (PubChem CID 65046283) has the molecular formula C10H16ClN3O2S and a molecular weight of 277.78 g/mol. Its IUPAC name is 4-chloro-3-methyl-1-(2-methylsulfonylcyclopentyl)pyrazol-5-amine.

Molecular Properties

Compound Name4-chloro-3-methyl-1-(2-methylsulfonylcyclopentyl)pyrazol-5-amine
PubChem CID65046283
Molecular FormulaC10H16ClN3O2S
Molecular Weight277.78 g/mol
Exact Mass277.07
IUPAC Name4-chloro-3-methyl-1-(2-methylsulfonylcyclopentyl)pyrazol-5-amine
SMILESCc1nn(C2CCCC2S(C)(=O)=O)c(N)c1Cl
InChIInChI=1S/C10H16ClN3O2S/c1-6-9(11)10(12)14(13-6)7-4-3-5-8(7)17(2,15)16/h7-8H,3-5,12H2,1-2H3
InChIKeyJZJCCUYLJDDKSN-UHFFFAOYSA-N
XLogP1.57
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.78
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-methyl-1-(2-methylsulfonylcyclopentyl)pyrazol-5-amine?
The IUPAC name of 4-chloro-3-methyl-1-(2-methylsulfonylcyclopentyl)pyrazol-5-amine (CID 65046283) is 4-chloro-3-methyl-1-(2-methylsulfonylcyclopentyl)pyrazol-5-amine.
What is the SMILES notation for 4-chloro-3-methyl-1-(2-methylsulfonylcyclopentyl)pyrazol-5-amine?
The canonical SMILES for 4-chloro-3-methyl-1-(2-methylsulfonylcyclopentyl)pyrazol-5-amine is Cc1nn(C2CCCC2S(C)(=O)=O)c(N)c1Cl.
What is the InChIKey of 4-chloro-3-methyl-1-(2-methylsulfonylcyclopentyl)pyrazol-5-amine?
The InChIKey is JZJCCUYLJDDKSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O2S/c1-6-9(11)10(12)14(13-6)7-4-3-5-8(7)17(2,15)16/h7-8H,3-5,12H2,1-2H3.
What are the key properties of 4-chloro-3-methyl-1-(2-methylsulfonylcyclopentyl)pyrazol-5-amine?
4-chloro-3-methyl-1-(2-methylsulfonylcyclopentyl)pyrazol-5-amine has a molecular weight of 277.78 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-methyl-1-(2-methylsulfonylcyclopentyl)pyrazol-5-amine is sourced from PubChem (CID 65046283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).